1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid

C8H10O10 — CID 14932635

IUPAC1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid
SMILESO=C(O)C(O)(CCC(O)(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H10O10/c9-3(10)7(17,4(11)12)1-2-8(18,5(13)14)6(15)16/h17-18H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyWDWUVNOFRBUARB-UHFFFAOYSA-N
MW266.16 g/mol
LogP-2.43
Rot. Bonds7

About 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid

1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid (PubChem CID 14932635) has the molecular formula C8H10O10 and a molecular weight of 266.16 g/mol. Its IUPAC name is 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid.

Molecular Properties

Compound Name1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid
PubChem CID14932635
Molecular FormulaC8H10O10
Molecular Weight266.16 g/mol
Exact Mass266.03
IUPAC Name1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid
SMILESO=C(O)C(O)(CCC(O)(C(=O)O)C(=O)O)C(=O)O
InChIInChI=1S/C8H10O10/c9-3(10)7(17,4(11)12)1-2-8(18,5(13)14)6(15)16/h17-18H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyWDWUVNOFRBUARB-UHFFFAOYSA-N
XLogP-2.43
TPSA189.66 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.16
LogP ≤ 5-2.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid?
The IUPAC name of 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid (CID 14932635) is 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid.
What is the SMILES notation for 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid?
The canonical SMILES for 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid is O=C(O)C(O)(CCC(O)(C(=O)O)C(=O)O)C(=O)O.
What is the InChIKey of 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid?
The InChIKey is WDWUVNOFRBUARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O10/c9-3(10)7(17,4(11)12)1-2-8(18,5(13)14)6(15)16/h17-18H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid?
1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid has a molecular weight of 266.16 g/mol, XLogP of -2.43, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxybutane-1,1,4,4-tetracarboxylic acid is sourced from PubChem (CID 14932635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).